SCHEMBL16220304

SCHEMBL16220304

COCCC(=O)N1CCCC(c2cc(C(C)C)nc(Nc3cc(C(F)(F)F)ccn3)n2)C1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAP3K12 Q12852 16/20 0.54
▸ BTK Q06187 4/20 0.52
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ YES1 P07947 1/20 0.44
▸ LYN P07948 1/20 0.44
▸ FGR P09769 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ CSK P41240 1/20 0.44
▸ TEC P42680 1/20 0.44
▸ TXK P42681 1/20 0.44
▸ FRK P42685 1/20 0.44
▸ BLK P51451 1/20 0.44
▸ BMX P51813 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ PTK6 Q13882 1/20 0.44
▸ ERBB4 Q15303 1/20 0.44
▸ SRMS Q9H3Y6 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22239495 0.89 MAP3K12 (0.54) MAP3K12
SCHEMBL16220422 0.87 MAP3K12 (0.59) MAP3K12
SCHEMBL16220424 0.87 MAP3K12 (0.69) MAP3K12BTK
SCHEMBL16220425 0.87 MAP3K12 (0.71) MAP3K12
SCHEMBL19771675 0.86 MAP3K12 (0.54) MAP3K12
SCHEMBL16220306 0.86 MAP3K12 (0.69) MAP3K12
SCHEMBL16220417 0.84 MAP3K12 (0.74) MAP3K12BTK
SCHEMBL16220226 0.84 MAP3K12 (0.77) MAP3K12BTK
SCHEMBL16220289 0.82 MAP3K12 (0.73) MAP3K12
SCHEMBL16220448 0.81 MAP3K12 (0.67) MAP3K12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991977-B1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES HOFFMANN LA ROCHE (CH) 2020-07-22 — — EP disclosed
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-9868720-B2 C-linked heterocycloaklyl substituted pyrimidines and their uses GENENTECH, INC. (US) 2018-01-16 — — US disclosed
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 — — US disclosed
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses GENENTECH, INC. (US) 2016-02-18 — — US disclosed
WO-2014177524-A1 C-LINKED HETEROCYCLOALKYL SUBSTITUTED PYRIMIDINES AND THEIR USES F. HOFFMANN-LA ROCHE AG (CH) 2014-11-06 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160046608-A1 C-Linked Heterocycloaklyl Substituted Pyrimidines and their uses TYMS, DPYD, TYMP MAP3K12 1825/4885BTK 1794/4885LCK 2349/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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